Author results

4RMG
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HUMAN SIRT2 IN COMPLEX WITH SIRREAL2 AND NAD+
Descriptor:NAD-dependent protein deacetylase sirtuin-2, ZINC ION, 2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-N-[5-(naphthalen-1-ylmethyl)-1,3-thiazol-2-yl]acetamide, ...
Authors:Rumpf, T., Schiedel, M., Karaman, B., Roessler, C., North, B.J., Lehotzky, A., Olah, J., Ladwein, K.I., Schmidtkunz, K., Gajer, M., Pannek, M., Steegborn, C., Sinclair, D.A., Gerhardt, S., Ovadi, J., Schutkowski, M., Sippl, W., Einsle, O., Jung, M.
Deposit date:2014-10-21
Release date:2015-02-25
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Selective Sirt2 inhibition by ligand-induced rearrangement of the active site.
Nat Commun, 6, 2015
4RMH
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HUMAN SIRT2 IN COMPLEX WITH SIRREAL2 AND AC-LYS-H3 PEPTIDE
Descriptor:NAD-dependent protein deacetylase sirtuin-2, Ac-Lys-H3 peptide, ZINC ION, ...
Authors:Rumpf, T., Schiedel, M., Karaman, B., Roessler, C., North, B.J., Lehotzky, A., Olah, J., Ladwein, K.I., Schmidtkunz, K., Gajer, M., Pannek, M., Steegborn, C., Sinclair, D.A., Gerhardt, S., Ovadi, J., Schutkowski, M., Sippl, W., Einsle, O., Jung, M.
Deposit date:2014-10-21
Release date:2015-02-25
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Selective Sirt2 inhibition by ligand-induced rearrangement of the active site.
Nat Commun, 6, 2015
4RMI
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HUMAN SIRT2 IN COMPLEX WITH SIRREAL1 AND AC-LYS-OTC PEPTIDE
Descriptor:NAD-dependent protein deacetylase sirtuin-2, Ac-Lys-OTC peptide, ZINC ION, ...
Authors:Rumpf, T., Schiedel, M., Karaman, B., Roessler, C., North, B.J., Lehotzky, A., Olah, J., Ladwein, K.I., Schmidtkunz, K., Gajer, M., Pannek, M., Steegborn, C., Sinclair, D.A., Gerhardt, S., Ovadi, J., Schutkowski, M., Sippl, W., Einsle, O., Jung, M.
Deposit date:2014-10-21
Release date:2015-02-25
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Selective Sirt2 inhibition by ligand-induced rearrangement of the active site.
Nat Commun, 6, 2015
4RMJ
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HUMAN SIRT2 IN COMPLEX WITH ADP RIBOSE AND NICOTINAMIDE
Descriptor:NAD-dependent protein deacetylase sirtuin-2, [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE, NICOTINAMIDE, ...
Authors:Rumpf, T., Schiedel, M., Karaman, B., Roessler, C., North, B.J., Lehotzky, A., Olah, J., Ladwein, K.I., Schmidtkunz, K., Gajer, M., Pannek, M., Steegborn, C., Sinclair, D.A., Gerhardt, S., Ovadi, J., Schutkowski, M., Sippl, W., Einsle, O., Jung, M.
Deposit date:2014-10-21
Release date:2015-02-25
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Selective Sirt2 inhibition by ligand-induced rearrangement of the active site.
Nat Commun, 6, 2015
5ANQ
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INHIBITORS OF JUMONJIC DOMAIN-CONTAINING HISTONE DEMETHYLASES
Descriptor:LYSINE-SPECIFIC DEMETHYLASE 4A, 2-{2-[(pyridin-3-ylmethyl)amino]pyrimidin-4-yl}pyridine-4-carboxylic acid, FE (II) ION, ...
Authors:Roatsch, M., Robaa, D., Pippel, M., Nettleship, J.E., Reddivari, Y., Bird, L.E., Hoffmann, I., Franz, H., Owens, R.J., Schuele, R., Flaig, R., Sippl, W., Jung, M.
Deposit date:2015-09-07
Release date:2016-03-23
Last modified:2016-09-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:Substituted 2-(2-Aminopyrimidin-4-Yl)Pyridine-4-Carboxylates as Potent Inhibitors of Jumonjic Domain-Containing Histone Demethylases.
Fut.Med.Chem., 8, 2016
2VCG
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CRYSTAL STRUCTURE OF A HDAC-LIKE PROTEIN HDAH FROM BORDETELLA SP. WITH THE BOUND INHIBITOR ST-17
Descriptor:HISTONE DEACETYLASE-LIKE AMIDOHYDROLASE, ZINC ION, POTASSIUM ION, ...
Authors:Dickmanns, A., Strasser, A., Ficner, R.
Deposit date:2007-09-24
Release date:2008-01-08
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Phenylalanine-Containing Hydroxamic Acids as Selective Inhibitors of Class Iib Histone Deacetylases (Hdacs).
Bioorg.Med.Chem., 16, 2008
4BZ5
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CRYSTAL STRUCTURE OF SCHISTOSOMA MANSONI HDAC8
Descriptor:HISTONE DEACETYLASE 8, ZINC ION, POTASSIUM ION, ...
Authors:Marek, M., Romier, C.
Deposit date:2013-07-24
Release date:2013-08-14
Last modified:2013-10-16
Method:X-RAY DIFFRACTION (1.785 Å)
Cite:Structural Basis for the Inhibition of Histone Deacetylase 8 (Hdac8), a Key Epigenetic Player in the Blood Fluke Schistosoma Mansoni.
Plos Pathog., 9, 2013
4BZ6
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CRYSTAL STRUCTURE OF SCHISTOSOMA MANSONI HDAC8 COMPLEXED WITH SAHA
Descriptor:HISTONE DEACETYLASE 8, ZINC ION, POTASSIUM ION, ...
Authors:Marek, M., Romier, C.
Deposit date:2013-07-24
Release date:2013-08-14
Last modified:2013-10-16
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Basis for the Inhibition of Histone Deacetylase 8 (Hdac8), a Key Epigenetic Player in the Blood Fluke Schistosoma Mansoni.
Plos Pathog., 9, 2013
4BZ7
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CRYSTAL STRUCTURE OF SCHISTOSOMA MANSONI HDAC8 COMPLEXED WITH M344
Descriptor:HISTONE DEACETYLASE 8, ZINC ION, POTASSIUM ION, ...
Authors:Marek, M., Romier, C.
Deposit date:2013-07-24
Release date:2013-08-14
Last modified:2013-10-16
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structural Basis for the Inhibition of Histone Deacetylase 8 (Hdac8), a Key Epigenetic Player in the Blood Fluke Schistosoma Mansoni.
Plos Pathog., 9, 2013
4BZ8
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CRYSTAL STRUCTURE OF SCHISTOSOMA MANSONI HDAC8 COMPLEXED WITH J1038
Descriptor:HISTONE DEACETYLASE 8, ZINC ION, POTASSIUM ION, ...
Authors:Marek, M., Romier, C.
Deposit date:2013-07-24
Release date:2013-08-14
Last modified:2013-10-16
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Structural Basis for the Inhibition of Histone Deacetylase 8 (Hdac8), a Key Epigenetic Player in the Blood Fluke Schistosoma Mansoni.
Plos Pathog., 9, 2013
4BZ9
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CRYSTAL STRUCTURE OF SCHISTOSOMA MANSONI HDAC8 COMPLEXED WITH J1075
Descriptor:HISTONE DEACETYLASE 8, ZINC ION, POTASSIUM ION, ...
Authors:Marek, M., Romier, C.
Deposit date:2013-07-24
Release date:2013-08-14
Last modified:2013-10-16
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Basis for the Inhibition of Histone Deacetylase 8 (Hdac8), a Key Epigenetic Player in the Blood Fluke Schistosoma Mansoni.
Plos Pathog., 9, 2013
4CQF
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CRYSTAL STRUCTURE OF SCHISTOSOMA MANSONI HDAC8 COMPLEXED WITH A MERCAPTOACETAMIDE INHIBITOR
Descriptor:HISTONE DEACETYLASE 8, ZINC ION, POTASSIUM ION, ...
Authors:Marek, M., Romier, C.
Deposit date:2014-02-14
Release date:2014-04-02
Last modified:2014-10-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Molecular Basis for the Anti-Parasitic Activity of a Mercaptoacetamide Derivative that Inhibits Histone Deacetylase 8 (Hdac8) from the Human Pathogen Schistosoma Mansoni
J.Mol.Biol., 426, 2014
4UTN
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CRYSTAL STRUCTURE OF ZEBRAFISH SIRTUIN 5 IN COMPLEX WITH SUCCINYLATED CPS1-PEPTIDE
Descriptor:NAD-DEPENDENT PROTEIN DEACYLASE SIRTUIN-5, MITOCHONDRIAL, SUCCINYL-CPS1-PEPTIDE, ...
Authors:Pannek, M., Gertz, M., Steegborn, C.
Deposit date:2014-07-21
Release date:2014-08-20
Last modified:2014-10-08
Method:X-RAY DIFFRACTION (3 Å)
Cite:Chemical Probing of the Human Sirtuin 5 Active Site Reveals its Substrate Acyl Specificity and Peptide-Based Inhibitors.
Angew.Chem.Int.Ed.Engl., 53, 2014
4UTR
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CRYSTAL STRUCTURE OF ZEBRAFISH SIRTUIN 5 IN COMPLEX WITH GLUTARYLATED CPS1-PEPTIDE
Descriptor:NAD-DEPENDENT PROTEIN DEACYLASE SIRTUIN-5, MITOCHONDRIAL, GLUTARYL-CPS1 PEPTIDE, ...
Authors:Pannek, M., Gertz, M., Steegborn, C.
Deposit date:2014-07-22
Release date:2014-08-20
Last modified:2014-10-08
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Chemical Probing of the Human Sirtuin 5 Active Site Reveals its Substrate Acyl Specificity and Peptide-Based Inhibitors.
Angew.Chem.Int.Ed.Engl., 53, 2014
4UTV
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CRYSTAL STRUCTURE OF ZEBRAFISH SIRTUIN 5 IN COMPLEX WITH 3-PHENYL- SUCCINYLATED CPS1-PEPTIDE
Descriptor:NAD-DEPENDENT PROTEIN DEACYLASE SIRTUIN-5, MITOCHONDRIAL, CARBAMOYLPHOSPHATE SYNTHETASE I, ...
Authors:Pannek, M., Gertz, M., Steegborn, C.
Deposit date:2014-07-23
Release date:2014-08-20
Last modified:2014-10-08
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Chemical Probing of the Human Sirtuin 5 Active Site Reveals its Substrate Acyl Specificity and Peptide-Based Inhibitors.
Angew.Chem.Int.Ed.Engl., 53, 2014
4UTX
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CRYSTAL STRUCTURE OF ZEBRAFISH SIRTUIN 5 IN COMPLEX WITH 3-NITRO- PROPIONYLATED CPS1-PEPTIDE
Descriptor:NAD-DEPENDENT PROTEIN DEACYLASE SIRTUIN-5, MITOCHONDRIAL, CARBAMOYLPHOSPHATE SYNTHETASE I, ...
Authors:Pannek, M., Gertz, M., Steegborn, C.
Deposit date:2014-07-23
Release date:2014-08-20
Last modified:2014-10-08
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Chemical Probing of the Human Sirtuin 5 Active Site Reveals its Substrate Acyl Specificity and Peptide-Based Inhibitors.
Angew.Chem.Int.Ed.Engl., 53, 2014
4UTZ
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CRYSTAL STRUCTURE OF ZEBRAFISH SIRTUIN 5 IN COMPLEX WITH ADIPOYLATED CPS1-PEPTIDE
Descriptor:SIRTUIN 5, CARBAMOYLPHOSPHATE SYNTHETASE I, ZINC ION, ...
Authors:Pannek, M., Gertz, M., Steegborn, C.
Deposit date:2014-07-24
Release date:2014-08-20
Last modified:2014-10-08
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Chemical Probing of the Human Sirtuin 5 Active Site Reveals its Substrate Acyl Specificity and Peptide-Based Inhibitors.
Angew.Chem.Int.Ed.Engl., 53, 2014
4UU7
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CRYSTAL STRUCTURE OF ZEBRAFISH SIRTUIN 5 IN COMPLEX WITH 3-METHYL- SUCCINYLATED CPS1-PEPTIDE
Descriptor:NAD-DEPENDENT PROTEIN DEACYLASE SIRTUIN-5, MITOCHONDRIAL, CARBAMOYLPHOSPHATE SYNTHETASE I, ...
Authors:Pannek, M., Gertz, M., Steegborn, C.
Deposit date:2014-07-24
Release date:2014-08-20
Last modified:2014-10-08
Method:X-RAY DIFFRACTION (3 Å)
Cite:Chemical Probing of the Human Sirtuin 5 Active Site Reveals its Substrate Acyl Specificity and Peptide-Based Inhibitors.
Angew.Chem.Int.Ed.Engl., 53, 2014
4UU8
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CRYSTAL STRUCTURE OF ZEBRAFISH SIRTUIN 5 IN COMPLEX WITH 3,3-DIMETHYL- SUCCINYLATED CPS1-PEPTIDE
Descriptor:NAD-DEPENDENT PROTEIN DEACYLASE SIRTUIN-5, MITOCHONDRIAL, CARBAMOYLPHOSPHATE SYNTHETASE I, ...
Authors:Pannek, M., Gertz, M., Steegborn, C.
Deposit date:2014-07-24
Release date:2014-08-20
Last modified:2015-01-14
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Chemical Probing of the Human Sirtuin 5 Active Site Reveals its Substrate Acyl Specificity and Peptide-Based Inhibitors.
Angew.Chem.Int.Ed.Engl., 53, 2014
4UUA
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CRYSTAL STRUCTURE OF ZEBRAFISH SIRTUIN 5 IN COMPLEX WITH 3S-Z-AMINO- SUCCINYLATED CPS1-PEPTIDE
Descriptor:NAD-DEPENDENT PROTEIN DEACYLASE SIRTUIN-5, MITOCHONDRIAL, CARBAMOYLPHOSPHATE SYNTHETASE I, ...
Authors:Pannek, M., Gertz, M., Steegborn, C.
Deposit date:2014-07-25
Release date:2014-08-20
Last modified:2014-10-08
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Chemical Probing of the Human Sirtuin 5 Active Site Reveals its Substrate Acyl Specificity and Peptide-Based Inhibitors.
Angew.Chem.Int.Ed.Engl., 53, 2014
4UUB
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CRYSTAL STRUCTURE OF ZEBRAFISH SIRTUIN 5 IN COMPLEX WITH 2R-BUTYL- SUCCINYLATED CPS1-PEPTIDE
Descriptor:NAD-DEPENDENT PROTEIN DEACYLASE SIRTUIN-5, MITOCHONDRIAL, CARBAMOYLPHOSPHATE SYNTHETASE I, ...
Authors:Pannek, M., Gertz, M., Steegborn, C.
Deposit date:2014-07-25
Release date:2014-08-20
Last modified:2014-10-08
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Chemical Probing of the Human Sirtuin 5 Active Site Reveals its Substrate Acyl Specificity and Peptide-Based Inhibitors.
Angew.Chem.Int.Ed.Engl., 53, 2014
5DY4
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CRYSTAL STRUCTURE OF HUMAN SIRT2 IN COMPLEX WITH A BROMINATED 2ND GENERATION SIRREAL INHIBITOR AND NAD+
Descriptor:NAD-dependent protein deacetylase sirtuin-2, ZINC ION, N-{5-[(7-bromonaphthalen-1-yl)methyl]-1,3-thiazol-2-yl}-2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetamide, ...
Authors:Rumpf, T., Gerhardt, S., Einsle, O., Jung, M.
Deposit date:2015-09-24
Release date:2016-01-13
Last modified:2016-03-09
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Aminothiazoles as Potent and Selective Sirt2 Inhibitors: A Structure-Activity Relationship Study.
J.Med.Chem., 59, 2016
5DY5
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CRYSTAL STRUCTURE OF HUMAN SIRT2 IN COMPLEX WITH A SIRREAL PROBE FRAGMENT
Descriptor:NAD-dependent protein deacetylase sirtuin-2, ZINC ION, N-(5-{3-[(1-benzyl-1H-1,2,3-triazol-4-yl)methoxy]benzyl}-1,3-thiazol-2-yl)-2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetamide, ...
Authors:Rumpf, T., Gerhardt, S., Einsle, O., Jung, M.
Deposit date:2015-09-24
Release date:2016-01-20
Last modified:2016-02-10
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structure-Based Development of an Affinity Probe for Sirtuin 2.
Angew.Chem.Int.Ed.Engl., 55, 2016
5FUE
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CRYSTAL STRUCTURE OF SCHISTOSOMA MANSONI HDAC8 COMPLEXED WITH 3- BENZAMIDO-BENZOHYDROXAMATE
Descriptor:HISTONE DEACETYLASE 8, ZINC ION, POTASSIUM ION, ...
Authors:Marek, M., Romier, C.
Deposit date:2016-01-26
Release date:2016-03-09
Last modified:2016-04-06
Method:X-RAY DIFFRACTION (2.199 Å)
Cite:Structure-Based Design and Synthesis of Novel Inhibitors Targeting Hdac8 from Schistosoma Mansoni for the Treatment of Schistosomiasis.
J.Med.Chem., 59, 2016
6FKY
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CRYSTAL STRUCTURE OF ZEBRAFISH SIRTUIN 5 IN COMPLEX WITH 3-(BENZYLTHIO)SUCCINYL-CPS1 PEPTIDE
Descriptor:NAD-dependent protein deacylase sirtuin-5, mitochondrial, 3(R)-(phenylthio)succinyl-CPS1 peptide, ...
Authors:Pannek, M., Steegborn, C.
Deposit date:2018-01-25
Release date:2018-03-21
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (2.98 Å)
Cite:Potent and Selective Inhibitors of Human Sirtuin 5.
J. Med. Chem., 61, 2018
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